CID 14000
1061-89-8
Structural Information
- Molecular Formula
- C26H34N2O5
- SMILES
- CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CNC3=CC=CC=C32
- InChI
- InChI=1S/C26H34N2O5/c1-5-28(14-12-19-18-27-22-11-7-6-10-21(19)22)13-8-9-15-33-26(29)20-16-23(30-2)25(32-4)24(17-20)31-3/h6-7,10-11,16-18,27H,5,8-9,12-15H2,1-4H3
- InChIKey
- VMXIQTHYNDPIGK-UHFFFAOYSA-N
- Compound name
- 4-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 455.25405 | 213.6 |
[M+Na]+ | 477.23599 | 218.4 |
[M-H]- | 453.23949 | 219.5 |
[M+NH4]+ | 472.28059 | 223.4 |
[M+K]+ | 493.20993 | 215.0 |
[M+H-H2O]+ | 437.24403 | 203.3 |
[M+HCOO]- | 499.24497 | 234.4 |
[M+CH3COO]- | 513.26062 | 237.5 |
[M+Na-2H]- | 475.22144 | 212.4 |
[M]+ | 454.24622 | 223.9 |
[M]- | 454.24732 | 223.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.